HMDB0037654 RDKit 3D Ephedrannin A 61 67 0 0 0 0 0 0 0 0999 V2000 2.3219 3.6222 -2.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 2.6826 -2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 2.2092 -1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5663 2.8272 -1.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 1.1830 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 0.6323 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 1.2138 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 0.6104 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -0.6015 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6924 -1.1391 2.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -1.2165 1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 -0.6124 0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.6290 -0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 1.0629 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 0.4625 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 0.8793 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 1.9129 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 2.5500 -2.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 3.5904 -3.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0013 2.1099 -1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 0.2262 -0.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 -0.3076 0.4924 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8811 0.4292 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 0.9986 2.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 1.6861 2.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0502 1.8229 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1478 2.5175 2.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 1.2642 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0828 0.5887 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -1.6917 0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -2.4166 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -3.5855 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -4.3335 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -5.5029 -2.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -3.8847 -1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -2.7030 -0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -2.2761 -1.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 -1.9304 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.6804 0.3577 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4963 -0.2638 1.2920 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5641 -1.1981 2.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 3.5675 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 2.1707 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 1.1085 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 -2.0341 2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -2.1696 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -1.0777 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 2.2369 -2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 3.9208 -3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 0.9029 2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 2.1329 3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1725 3.5252 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0529 1.3556 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 0.1352 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 -3.9239 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -5.8187 -2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -4.4570 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -2.8421 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -0.8272 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 0.7726 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 -2.0455 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 5 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 16 21 1 0 21 22 1 0 22 23 1 1 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 22 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 2 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 20 2 1 0 40 22 1 0 12 6 1 0 20 14 1 0 29 23 1 0 38 31 1 0 39 15 1 0 4 42 1 0 7 43 1 0 8 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 17 48 1 0 19 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 32 55 1 0 34 56 1 0 35 57 1 0 37 58 1 0 39 59 1 1 40 60 1 1 41 61 1 0 M END